Automated data collection and real-time data analysis suite for serial synchrotron crystallography

open access.

Bibliographische Detailangaben
Veröffentlicht in:Journal of synchrotron radiation. - 1994. - 26(2019), Pt 1 vom: 01. Jan., Seite 244-252
1. Verfasser: Basu, Shibom (VerfasserIn)
Weitere Verfasser: Kaminski, Jakub W, Panepucci, Ezequiel, Huang, Chia Ying, Warshamanage, Rangana, Wang, Meitian, Wojdyla, Justyna Aleksandra
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2019
Zugriff auf das übergeordnete Werk:Journal of synchrotron radiation
Schlagworte:Journal Article data acquisition data merging online data analysis protein crystallography serial synchrotron crystallography
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520 |a At the Swiss Light Source macromolecular crystallography (MX) beamlines the collection of serial synchrotron crystallography (SSX) diffraction data is facilitated by the recent DA+ data acquisition and analysis software developments. The SSX suite allows easy, efficient and high-throughput measurements on a large number of crystals. The fast continuous diffraction-based two-dimensional grid scan method allows initial location of microcrystals. The CY+ GUI utility enables efficient assessment of a grid scan's analysis output and subsequent collection of multiple wedges of data (so-called minisets) from automatically selected positions in a serial and automated way. The automated data processing (adp) routines adapted to the SSX data collection mode provide near real time analysis for data in both CBF and HDF5 formats. The automatic data merging (adm) is the latest extension of the DA+ data analysis software routines. It utilizes the sxdm (SSX data merging) package, which provides automatic online scaling and merging of minisets and allows identification of a minisets subset resulting in the best quality of the final merged data. The results of both adp and adm are sent to the MX MongoDB database and displayed in the web-based tracker, which provides the user with on-the-fly feedback about the experiment 
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650 4 |a data acquisition 
650 4 |a data merging 
650 4 |a online data analysis 
650 4 |a protein crystallography 
650 4 |a serial synchrotron crystallography 
700 1 |a Kaminski, Jakub W  |e verfasserin  |4 aut 
700 1 |a Panepucci, Ezequiel  |e verfasserin  |4 aut 
700 1 |a Huang, Chia Ying  |e verfasserin  |4 aut 
700 1 |a Warshamanage, Rangana  |e verfasserin  |4 aut 
700 1 |a Wang, Meitian  |e verfasserin  |4 aut 
700 1 |a Wojdyla, Justyna Aleksandra  |e verfasserin  |4 aut 
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